SCHEMBL5077337

SCHEMBL5077337

NC(=O)c1cccc2[nH]c(-c3cccc(Cl)c3)cc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.57
DHFR P00374 1/20 0.48
IKBKB O14920 1/20 0.46
CHUK O15111 1/20 0.46
FFAR1 O14842 1/20 0.45
PPARG P37231 1/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
MAP2 P11137 1/20 0.45
JAK2 O60674 2/20 0.45
NUDT1 P36639 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
BTK Q06187 1/20 0.42
BRD4 O60885 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5076318 0.87 KMT2A (0.55) PARP1IKBKBCHUKFFAR1MEN1
SCHEMBL5076477 0.84 PARP1 (0.56) PARP1MEN1ALDH1A1KMT2AHDAC11
SCHEMBL5074027 0.84 PARP1 (0.49) PARP1IKBKBALDH1A1MAP2HDAC11
SCHEMBL5074311 0.83 HPGD (0.58) PARP1MEN1ALDH1A1KMT2ATHRB
SCHEMBL5077303 0.83 CDC7 (0.53) PARP1MEN1ALDH1A1KMT2AHDAC11
SCHEMBL5074225 0.83 BRD4 (0.54) PARP1IKBKBALDH1A1MAP2HDAC11
SCHEMBL5074291 0.80 PARP1 (0.60) PARP1JAK2HDAC11
SCHEMBL5071957 0.80 PARP1 (0.60) PARP1MEN1ALDH1A1KMT2ATHRB
SCHEMBL5074054 0.80 EGFR (0.42) PARP1HDAC11BRD4
SCHEMBL5077305 0.80 PARP1 (0.53) PARP1ALDH1A1HDAC11BTKBRD4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO claimed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US claimed
WO-2008154129-A1 PHARMACEUTICAL COMPOSITIONS AND METHOD FOR TREATING, REDUCING, AMELIORATING, ALLEVIATING, OR PREVENTING DRY EYE BAUSCH & LOMB INCORPORATED (US) 2008-12-18 WO disclosed
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye BAUSCH & LOMB INCORPORATED 2008-12-11 US disclosed
US-7087637-B2 Substituted indoles which are PARP inhibitors BASF AG (DE) 2006-08-08 US disclosed
US-20040067949-A1 Substituted indoles which are parp inhibitors ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2004-04-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080305994-A1 Pharmaceutical Compositions and Method for Treating, Reducing, Ameliorating, Alleviating, or Preventing Dry Eye PARP1, PARP2, PARP12 PARP1 1/4885DHFR 2483/4885IKBKB 153/4885
US-20040067949-A1 Substituted indoles which are parp inhibitors PARP1, PARP2, PARP12 PARP1 1/4885DHFR 398/4885IKBKB 480/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.